N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide

C24H26N3O3+ — CID 8856674

IUPACN-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[n+]3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-18-13-15-27(16-14-18)17-23(28)25-20-7-5-19(6-8-20)24(29)26-21-9-11-22(12-10-21)30-4-2/h5-16H,3-4,17H2,1-2H3,(H-,25,26,28,29)/p+1
InChIKeyANLVWPHQQCGFLM-UHFFFAOYSA-O
MW404.49 g/mol
LogP3.83
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide (PubChem CID 8856674) has the molecular formula C24H26N3O3+ and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide
PubChem CID8856674
Molecular FormulaC24H26N3O3+
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[n+]3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-18-13-15-27(16-14-18)17-23(28)25-20-7-5-19(6-8-20)24(29)26-21-9-11-22(12-10-21)30-4-2/h5-16H,3-4,17H2,1-2H3,(H-,25,26,28,29)/p+1
InChIKeyANLVWPHQQCGFLM-UHFFFAOYSA-O
XLogP3.83
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 3165617
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide (CID 8856674) is N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)C[n+]3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide?
The InChIKey is ANLVWPHQQCGFLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O3/c1-3-18-13-15-27(16-14-18)17-23(28)25-20-7-5-19(6-8-20)24(29)26-21-9-11-22(12-10-21)30-4-2/h5-16H,3-4,17H2,1-2H3,(H-,25,26,28,29)/p+1.
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 8856674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).